UCSF

ZINC40276733

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.87 12.68 -13.32 1 5 0 56 413.521 9
Mid Mid (pH 6-8) 4.87 13.19 -36.61 2 5 1 57 414.529 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )